Re: AMBER: parameters for C=S

From: David A. Case <>
Date: Mon, 9 Jan 2006 15:04:52 -0800

On Mon, Jan 09, 2006, wrote:
> I used antechamber to derive parameters for a ligand. However, I could not
> get
> parameters for a region in which a carbon is double bonded to sulfur; this
> carbon is in a ring and is also connected to a N and C (R-N-CS-C-R).
> Antechamber did not recognize the S (it recognized S as DU)

Can you post the pdb or mol2 file you are using?


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Received on Tue Jan 10 2006 - 06:10:06 PST
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